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{
"id": "jvasp-80690",
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"structure_string": "Ca2 Zn1 Ga1\n1.0\n-11.970142 4.015223 -0.354133\n-8.521702 1.289008 2.341687\n-7.033076 5.499478 -0.236689\nCa Zn Ga\n2 1 1\ndirect\n0.749977 0.000013 0.000012 Ca\n0.250023 -0.000012 -0.000012 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 -0.000000 Ga\n",
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{
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"structure_string": "Ir2 Cl8 F12\n1.0\n0.000000 5.097296 0.133852\n10.825968 0.000000 0.000000\n0.000000 -0.431289 -7.324585\nIr Cl F\n2 8 12\ndirect\n-0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.237187 0.861434 0.037747 Cl\n0.762814 0.361434 0.462254 Cl\n0.762814 0.138567 0.962254 Cl\n0.237187 0.638567 0.537747 Cl\n0.531890 0.847935 0.879617 Cl\n0.468111 0.347935 0.620384 Cl\n0.468111 0.152065 0.120384 Cl\n0.531890 0.652065 0.379617 Cl\n0.314726 0.584890 0.961685 F\n0.685275 0.084890 0.538316 F\n0.894861 0.637782 0.138644 F\n0.105140 0.137782 0.361357 F\n0.105140 0.362218 0.861357 F\n0.157829 0.074914 0.717432 F\n0.157829 0.425086 0.217432 F\n0.842172 0.925086 0.282568 F\n0.842172 0.574914 0.782569 F\n0.685275 0.415110 0.038316 F\n0.894860 0.862218 0.638644 F\n0.314726 0.915110 0.461685 F\n",
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{
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"created_at": "2022-09-04T14:36:02.030186Z",
"updated_at": "2022-09-04T14:36:02.030214Z",
"structure_string": "Hg2 H16 C4 Br6 N2\n1.0\n6.400658 0.000000 0.000000\n0.000000 6.729570 -0.780066\n0.000000 0.073447 10.163604\nHg H C Br N\n2 16 4 6 2\ndirect\n0.750000 0.570962 0.138210 Hg\n0.250000 0.429039 0.861789 Hg\n0.616984 0.979128 0.826122 H\n0.889523 0.155558 0.610161 H\n0.116984 0.020872 0.173877 H\n0.610477 0.155558 0.610161 H\n0.250000 0.232933 0.170780 H\n0.611076 0.780584 0.612687 H\n0.388925 0.219416 0.387312 H\n0.250000 0.964209 0.527552 H\n0.750000 0.767067 0.829219 H\n0.750000 0.035791 0.472447 H\n0.888925 0.780584 0.612687 H\n0.383016 0.020872 0.173877 H\n0.883016 0.979128 0.826122 H\n0.110477 0.844442 0.389838 H\n0.389523 0.844442 0.389838 H\n0.111075 0.219416 0.387312 H\n0.750000 0.065843 0.581095 C\n0.250000 0.934157 0.418905 C\n0.250000 0.129584 0.358706 C\n0.750000 0.870417 0.641293 C\n0.750000 0.432509 0.886648 Br\n0.750000 0.971109 0.131153 Br\n0.250000 0.567492 0.113351 Br\n0.750000 0.480005 0.372121 Br\n0.250000 0.519995 0.627878 Br\n0.250000 0.028891 0.868846 Br\n0.250000 0.097211 0.210075 N\n0.750000 0.902790 0.789924 N\n",
"nsites": 30,
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{
"id": "jvasp-106978",
"created_at": "2022-09-04T14:36:53.347292Z",
"updated_at": "2022-09-04T14:36:53.347318Z",
"structure_string": "Sr6 Nd2\n1.0\n8.064305 -0.000000 0.000000\n-4.032152 6.983894 0.000000\n-0.000000 -0.000000 6.511591\nSr Nd\n6 2\ndirect\n0.828416 0.171584 0.750000 Sr\n0.343169 0.171584 0.750000 Sr\n0.828416 0.656831 0.750000 Sr\n0.171584 0.828415 0.250000 Sr\n0.656832 0.828415 0.250000 Sr\n0.171584 0.343168 0.250000 Sr\n0.666667 0.333333 0.250000 Nd\n0.333334 0.666666 0.750000 Nd\n",
"nsites": 8,
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{
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"created_at": "2022-09-04T14:35:46.540256Z",
"updated_at": "2022-09-04T14:35:46.540287Z",
"structure_string": "Rb4 I2 O1\n1.0\n-2.757202 2.757202 9.060444\n2.757202 -2.757202 9.060444\n2.757202 2.757202 -9.060444\nRb I O\n4 2 1\ndirect\n0.500000 0.000000 0.500000 Rb\n0.149512 0.149512 0.000000 Rb\n0.850487 0.850487 0.000000 Rb\n0.000000 0.500000 0.500000 Rb\n0.354888 0.354888 0.000000 I\n0.645112 0.645112 0.000000 I\n0.000000 0.000000 0.000000 O\n",
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{
"id": "jvasp-50058",
"created_at": "2022-09-04T14:36:52.157826Z",
"updated_at": "2022-09-04T14:36:52.157859Z",
"structure_string": "Al8 O12\n1.0\n2.422137 -4.195263 0.000000\n2.422137 4.195263 0.000000\n-0.000000 0.000000 9.039856\nAl O\n8 12\ndirect\n0.666668 0.333334 0.961424 Al\n0.666668 0.333334 0.250000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.666668 0.333334 0.538577 Al\n0.333334 0.666668 0.038577 Al\n0.333334 0.666668 0.750000 Al\n0.333334 0.666668 0.461424 Al\n0.031929 0.676703 0.887926 O\n0.968073 0.644776 0.387926 O\n0.323297 0.355226 0.887926 O\n0.355226 0.323297 0.387926 O\n0.031929 0.355226 0.612075 O\n0.323298 0.968072 0.612075 O\n0.644776 0.968073 0.887926 O\n0.676703 0.031929 0.387926 O\n0.676704 0.644776 0.112074 O\n0.355226 0.031929 0.112074 O\n0.968072 0.323298 0.112074 O\n0.644776 0.676704 0.612075 O\n",
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{
"id": "jvasp-67620",
"created_at": "2022-09-04T14:35:50.538332Z",
"updated_at": "2022-09-04T14:35:50.538349Z",
"structure_string": "Li1 Be1 V2\n1.0\n3.029062 0.000000 -0.000000\n0.000000 3.029062 0.000000\n-0.000000 0.000000 5.785611\nLi Be V\n1 1 2\ndirect\n0.500000 0.500000 0.726958 Li\n0.000000 0.000000 0.468270 Be\n0.000000 0.000000 0.050491 V\n0.500000 0.500000 0.254281 V\n",
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"elements": [
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{
"id": "jvasp-48925",
"created_at": "2022-09-04T14:38:12.861962Z",
"updated_at": "2022-09-04T14:38:12.861987Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n2.560570 4.410848 -0.002938\n-2.560570 4.410848 0.002938\n-3.490765 0.000000 9.562315\nLi Mn O F\n8 4 8 4\ndirect\n0.000001 -0.000001 0.750000 Li\n0.364437 0.327819 0.754884 Li\n0.635566 0.672179 0.745117 Li\n0.486457 0.486455 0.500000 Li\n0.000000 -0.000000 0.250000 Li\n0.327821 0.364435 0.245116 Li\n0.672181 0.635564 0.254884 Li\n0.513544 0.513544 0.000000 Li\n0.158535 0.158535 0.000000 Mn\n0.836441 0.836441 0.000000 Mn\n0.163560 0.163559 0.500000 Mn\n0.841467 0.841465 0.500000 Mn\n0.426404 0.935482 0.894753 O\n0.235876 0.779975 0.617757 O\n0.064518 0.573598 0.394753 O\n0.220025 0.764125 0.117757 O\n0.764126 0.220023 0.882244 O\n0.573599 0.064516 0.605248 O\n0.779976 0.235875 0.382244 O\n0.935483 0.426402 0.105248 O\n0.900097 0.420765 0.636078 F\n0.099906 0.579233 0.863922 F\n0.420766 0.900095 0.363922 F\n0.579235 0.099905 0.136078 F\n",
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{
"id": "jvasp-20832",
"created_at": "2022-09-04T14:38:30.389087Z",
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"structure_string": "Rb8 Be4 F16\n1.0\n5.862494 0.000000 0.000000\n0.000000 7.692749 0.000000\n0.000000 0.000000 10.226558\nRb Be F\n8 4 16\ndirect\n0.247528 0.484306 0.810161 Rb\n0.747528 0.515694 0.189839 Rb\n0.747528 0.015694 0.310161 Rb\n0.247528 0.984306 0.689839 Rb\n0.247518 0.161649 0.094552 Rb\n0.747518 0.838351 0.905448 Rb\n0.747518 0.338351 0.594552 Rb\n0.247518 0.661649 0.405448 Rb\n0.247551 0.238945 0.418485 Be\n0.747550 0.261055 0.918486 Be\n0.247551 0.738945 0.081515 Be\n0.747550 0.761055 0.581515 Be\n0.747495 0.693037 0.435903 F\n0.247495 0.306963 0.564097 F\n0.247596 0.535481 0.089388 F\n0.747596 0.464519 0.910613 F\n0.747596 0.964519 0.589388 F\n0.247596 0.035481 0.410613 F\n0.966185 0.187233 0.849166 F\n0.528925 0.187277 0.849117 F\n0.466185 0.812767 0.150834 F\n0.466185 0.312767 0.349166 F\n0.028926 0.312723 0.349117 F\n0.528925 0.687277 0.650883 F\n0.747495 0.193037 0.064097 F\n0.028926 0.812723 0.150883 F\n0.966185 0.687233 0.650834 F\n0.247495 0.806963 0.935903 F\n",
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"structure_string": "Rb4 Sb8 S14\n1.0\n-7.451904 -0.087444 -0.045690\n2.234684 9.381099 -0.177731\n-0.543869 -1.820371 -11.372077\nRb Sb S\n4 8 14\ndirect\n0.287116 0.331923 0.107732 Rb\n0.418896 0.724446 0.559106 Rb\n0.581105 0.275555 0.440894 Rb\n0.712885 0.668077 0.892268 Rb\n0.501220 0.804090 0.233896 Sb\n0.862024 0.562783 0.187593 Sb\n0.959658 0.044258 0.659483 Sb\n0.256184 0.865006 0.950520 Sb\n0.743816 0.134995 0.049480 Sb\n0.137977 0.437217 0.812407 Sb\n0.040342 0.955743 0.340517 Sb\n0.498780 0.195910 0.766104 Sb\n0.945527 0.299625 0.641768 S\n0.762540 0.979132 0.458734 S\n0.110276 0.678026 0.767476 S\n0.889724 0.321975 0.232524 S\n0.553391 0.936810 0.843850 S\n0.446610 0.063191 0.156150 S\n0.818522 0.867935 0.145448 S\n0.054473 0.700376 0.358232 S\n0.237460 0.020869 0.541266 S\n0.439968 0.438612 0.706592 S\n0.669226 0.335874 0.948533 S\n0.560032 0.561389 0.293408 S\n0.330775 0.664127 0.051467 S\n0.181479 0.132065 0.854552 S\n",
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{
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"structure_string": "Ca1 Zr1 S2\n1.0\n4.980556 0.000000 -0.000000\n0.000000 4.980556 0.000000\n0.000000 -0.000000 3.549597\nCa Zr S\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Ca\n0.000000 0.000000 0.000000 Zr\n0.500001 0.000000 0.000000 S\n0.000000 0.500001 0.000000 S\n",
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]
}